3-[(3-chlorophenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione

Systemtic Name: 3-[(3-chlorophenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione Openeye Name: 3-[(3-chlorophenyl)methyl]-8-isopropyl-7H-purine-2,6-dione CAS Name: 3-[(3-chlorophenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-[(3-chlorophenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione Traditional Name: 3-(3-chlorobenzyl)-8-isopropyl-7H-purine-2,6-quinone Formula: C15H15ClN4O2 MolecularWeight: 318.7582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=O)NC(=O)N2CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=O)NC(=O)N2CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H15ClN4O2/c1-8(2)12-17-11-13(18-12)20(15(22)19-14(11)21)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,17,18)(H,19,21,22)